1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone

C15H19N3O2 — CID 116561419

IUPAC1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
SMILESCNC1COCC1C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-16-13-9-20-8-11(13)15(19)7-12-10-5-3-4-6-14(10)18(2)17-12/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyIJIQLXDCEMUBBT-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds4

About 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone

1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone (PubChem CID 116561419) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
PubChem CID116561419
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
SMILESCNC1COCC1C(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-16-13-9-20-8-11(13)15(19)7-12-10-5-3-4-6-14(10)18(2)17-12/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyIJIQLXDCEMUBBT-UHFFFAOYSA-N
XLogP0.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone (CID 116561419) is 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone is CNC1COCC1C(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is IJIQLXDCEMUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-13-9-20-8-11(13)15(19)7-12-10-5-3-4-6-14(10)18(2)17-12/h3-6,11,13,16H,7-9H2,1-2H3.
What are the key properties of 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone?
1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 116561419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).